Crystallography Open Database

Information card for entry 1577237

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Coordinates	1577237.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H45 Au Cl2 F6 N3 Sb
Calculated formula	C33 H45 Au Cl2 F6 N3 Sb
Title of publication	Activation of Isocyanates at Gold: Towards Au-Catalyzed C-H Amidation of Pyrroles
Authors of publication	Ravera, Francesco; Bortoli, Alessandro; Gamboa-Carballo, Juan José; Mallet-Ladeira, Sonia; Miqueu, Karinne; Bourissou, Didier; Biffis, Andrea
Journal of publication	Catalysis Science & Technology
Year of publication	2026
a	12.5091 ± 0.0006 Å
b	16.5705 ± 0.0008 Å
c	18.5967 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3854.8 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0372
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0979
Weighted residual factors for all reflections included in the refinement	0.0986
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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